1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(o-tolyl)methyl]isonipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO3/c1-20-7-5-6-10-25(20)26(28-17-15-23(16-18-28)27(29)30)22-11-13-24(14-12-22)31-19-21-8-3-2-4-9-21/h2-14,23,26H,15-19H2,1H3,(H,29,30)